1-[(5-nitrofuran-2-yl)carbonylamino]-3-[2-[(5-nitropyridin-2-yl)amino]ethyl]urea

Systemtic Name: 1-[(5-nitrofuran-2-yl)carbonylamino]-3-[2-[(5-nitropyridin-2-yl)amino]ethyl]urea Openeye Name: 1-[(5-nitrofuran-2-carbonyl)amino]-3-[2-[(5-nitro-2-pyridyl)amino]ethyl]urea CAS Name: 1-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-[2-[(5-nitro-2-pyridinyl)amino]ethyl]urea IUPAC Name: 1-[(5-nitrofuran-2-carbonyl)amino]-3-[2-[(5-nitropyridin-2-yl)amino]ethyl]urea Traditional Name: 1-[(5-nitro-2-furoyl)amino]-3-[2-[(5-nitro-2-pyridyl)amino]ethyl]urea Formula: C13H13N7O7 MolecularWeight: 379.28502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1[N+](=O)[O-])NCCNC(=O)NNC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=NC=C1[N+](=O)[O-])NCCNC(=O)NNC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O7/c21-12(9-2-4-11(27-9)20(25)26)17-18-13(22)15-6-5-14-10-3-1-8(7-16-10)19(23)24/h1-4,7H,5-6H2,(H,14,16)(H,17,21)(H2,15,18,22)